CID 77225

1,1-diethoxybutane

Structural Information

Molecular Formula
C8H18O2
SMILES
CCCC(OCC)OCC
InChI
InChI=1S/C8H18O2/c1-4-7-8(9-5-2)10-6-3/h8H,4-7H2,1-3H3
InChIKey
UVHXZFGCCJLFMX-UHFFFAOYSA-N
Compound name
1,1-diethoxybutane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

3
References

705
Patents

146.13068 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.137956 134.5
[M+Na]+ 169.119898 140.7
[M-H]- 145.123404 134.6
[M+NH4]+ 164.164503 156.2
[M+K]+ 185.093838 141.5
[M+H-H2O]+ 129.127940 129.7
[M+HCOO]- 191.128881 157.2
[M+CH3COO]- 205.144531 178.1
[M+Na-2H]- 167.105346 139.3
[M]+ 146.13013142 138.9
[M]- 146.13122858 138.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe